Structural characterization of the supra­molecular complex between a tetra­quinoxaline-based cavitand and benzo­nitrile

Abstract

The 2:1 supra­molecular complex between a tetra­quinoxaline-based cavitand and benzo­nitrile as a guest has been studied through X-ray diffraction analysis. One of the benzo­nitrile mol­ecules in engulfed inside the macrocycle.

The structural characterization is reported of the supra­molecular complex between the tetra­quinoxaline-based cavitand 2,8,14,20-tetra­hexyl-6,10:12,16:18,22:24,4-O,O′-tetra­kis­(quinoxaline-2,3-di­yl)calix[4]resorcinarene (QxCav) with benzo­nitrile. The complex, of general formula C₈₄H₈₀N₈O₈·2C₇H₅N, crystallizes in the space group P

with two independent mol­ecules in the asymmetric unit, displaying very similar geometrical parameters. For each complex, one of the benzo­nitrile mol­ecules is engulfed inside the cavity, while the other is located among the alkyl legs at the lower rim. The host and the guests mainly inter­act through weak C—H⋯π, C—H⋯N and dispersion inter­actions. These inter­actions help to consolidate the formation of supra­molecular chains running along the crystallographic b-axis direction.